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First-principles study of line-defect-embedded zigzag graphene nanoribbons: electronic and magnetic properties

Zhaoyong GuanBeijing 100084Si ChenBeihang UniversityShuanglin HuChina Academy of Engineering PhysicsWenhui DuanBeijing 100084
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The spin density of H-6-LD-6-2H at the ferromagnetic ground state and the band structure of the ferromagnetic state calculated by hybrid functional HSE06 show its half-metallicity.

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Koʻrsatkichlar — AkademScholar · Tez orada